CHEBI:27539 - isatin

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ChEBI Name isatin
ChEBI ID CHEBI:27539
Definition An indoledione that is the 2,3-diketo derivative of indole.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43625, CHEBI:5978, CHEBI:24879
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Formula C8H5NO2
Net Charge 0
Average Mass 147.13080
Monoisotopic Mass 147.032
InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N
SMILES O=C1Nc2ccccc2C1=O
Roles Classification
Biological Role(s): EC 1.4.3.4 (monoamine oxidase) inhibitor
An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing isatin (CHEBI:27539) has role EC 1.4.3.4 (monoamine oxidase) inhibitor (CHEBI:38623)
isatin (CHEBI:27539) has role plant metabolite (CHEBI:76924)
isatin (CHEBI:27539) is a indoledione (CHEBI:24793)
Incoming 1-methyl-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1H-indole-2,3-dione (CHEBI:44274) has functional parent isatin (CHEBI:27539)
5-(6-aminohexanamido)isatin (CHEBI:59639) has functional parent isatin (CHEBI:27539)
5-aminoisatin (CHEBI:59593) has functional parent isatin (CHEBI:27539)
N-acetylisatin (CHEBI:16050) has functional parent isatin (CHEBI:27539)
IUPAC Name
1H-indole-2,3-dione
Synonyms Sources
indole-2,3-dione NIST Chemistry WebBook
Isatin KEGG COMPOUND
ISATIN PDBeChem
isatin UniProt
Database Links Databases
C00026981 KNApSAcK
C11129 KEGG COMPOUND
DB02095 DrugBank
Isatin Wikipedia
ISATIN MetaCyc
ISN PDBeChem
View more database links
Registry Numbers Types Sources
165206 Gmelin Registry Number Gmelin
383659 Beilstein Registry Number Beilstein
383659 Reaxys Registry Number Reaxys
91-56-5 CAS Registry Number KEGG COMPOUND
91-56-5 CAS Registry Number NIST Chemistry WebBook
91-56-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15876476 PubMed citation Europe PMC
16236622 PubMed citation Europe PMC
1650428 PubMed citation Europe PMC
17330218 PubMed citation Europe PMC
17447419 PubMed citation Europe PMC
19834914 PubMed citation Europe PMC
23744416 PubMed citation Europe PMC
26846278 PubMed citation Europe PMC
9510091 PubMed citation Europe PMC
Last Modified
22 June 2016